SCHEMBL8566307

SCHEMBL8566307

CC(=O)[C@H]1Cc2ccccc2N(Cc2ccccc2)C1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.64
MTNR1B P49286 4/20 0.64
BRD4 O60885 7/20 0.58
BRS3 P32247 1/20 0.56
CACNA1G O43497 1/20 0.51
CACNA1H O95180 1/20 0.51
CACNA1I Q9P0X4 1/20 0.51
SIRT1 Q96EB6 1/20 0.48
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NOTUM Q6P988 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8566298 1.00 MTNR1A (0.64) MTNR1AMTNR1BBRD4BRS3CACNA1G
SCHEMBL8566302 1.00 MTNR1A (0.64) MTNR1AMTNR1BBRD4BRS3CACNA1G
SCHEMBL431599 0.89 MTNR1A (0.60) MTNR1AMTNR1BBRD4BRS3CACNA1G
SCHEMBL429807 0.83 MTNR1A (0.58) MTNR1AMTNR1BBRD4BRS3ALDH1A1
SCHEMBL8562434 0.83 TDP1 (0.57) MTNR1AMTNR1BBRD4BRS3CACNA1G
SCHEMBL8562432 0.83 TDP1 (0.57) MTNR1AMTNR1BBRD4BRS3CACNA1G
SCHEMBL8562438 0.83 TDP1 (0.57) MTNR1AMTNR1BBRD4BRS3CACNA1G
SCHEMBL10255967 0.81 ALDH1A1 (0.67) ALDH1A1NPC1LMNAGLAMAPT
SCHEMBL9144175 0.81 ALDH1A1 (0.67) ALDH1A1NPC1LMNAGLAMAPT
SCHEMBL25740830 0.78 MTNR1A (0.56) MTNR1AMTNR1BBRD4BRS3CACNA1G

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed
EP-0702004-A2 2,9-diamino- and 2-amino-8-carbamoyl-4-hydroxy-alkanoic acid amid derivatives CIBA-GEIGY AG (CH) 1996-03-20 EP disclosed